0 mol 81 unq 0 iso 0 dist 7.91009 8.53662 4.37412 8.07716 4.35132 7.3895 numMergedOcc 0
1 mol 81 unq 1 iso 0 dist 4.39121 8.16146 4.37412 5.78829 4.35132 7.3895 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 9.52936 8.29601 13.1199 6.91417 14.5145 13.7755 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 6.4081 9.11115 4.79997 8.27456 11.9095 12.0894 numMergedOcc 0
4 mol 125 unq 0 iso 0 dist 7.0188 9.5205 13.2837 6.39794 9.95438 7.14674 numMergedOcc 0
5 mol 125 unq 1 iso 0 dist 7.0188 7.1608 8.93863 6.39794 9.95438 5.40131 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.27008 8.61918 8.09812 6.53153 4.82833 6.55423 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 8.27008 8.61918 8.09812 6.29975 4.32516 10.2681 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 8.27008 8.61918 8.09812 8.29673 8.58958 13.1011 numMergedOcc 0
9 mol 140 unq 0 iso 0 dist 8.15605 9.16949 4.46614 6.40792 8.25136 9.7827 numMergedOcc 0
10 mol 140 unq 1 iso 0 dist 8.15605 8.65294 4.74205 6.40792 8.25136 5.80354 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 9.06541 9.83024 16.5906 5.5581 10.4409 6.21569 numMergedOcc 0
12 mol 247 unq 0 iso 0 dist 6.52457 9.1947 5.35312 8.14191 4.78748 9.08383 numMergedOcc 0
13 mol 247 unq 1 iso 0 dist 6.52457 6.97395 5.05326 8.14191 4.78748 4.3881 numMergedOcc 0
14 mol 279 unq 0 iso 0 dist 9.5174 9.87771 4.15537 7.63115 4.51764 8.00087 numMergedOcc 0
15 mol 279 unq 1 iso 0 dist 9.5174 9.10723 9.72043 7.63115 4.51764 9.98703 numMergedOcc 0
16 mol 280 unq 0 iso 0 dist 9.69573 8.71581 6.22294 7.1704 10.3716 11.4271 numMergedOcc 0
17 mol 280 unq 1 iso 0 dist 9.69573 8.71581 6.22294 9.63837 13.86 10.1569 numMergedOcc 0
18 mol 280 unq 2 iso 0 dist 6.42515 9.79817 6.22294 5.59626 10.3716 11.4271 numMergedOcc 0
19 mol 280 unq 3 iso 0 dist 9.8581 9.79817 12.9626 5.59626 13.8682 11.4271 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 9.18565 7.90993 9.69803 7.04661 4.89583 7.85489 numMergedOcc 0
